(3R)-N-(2-morpholin-4-ium-4-ylethyl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3R)-N-(2-morpholin-4-ium-4-ylethyl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3R)-N-(2-morpholin-4-ium-4-ylethyl)-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3R)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3R)-N-(2-morpholin-4-ium-4-ylethyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3R)-1-keto-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-isochroman-6-carboxamide Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)C(=O)O[C@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O4/c25-21(23-8-9-24-10-12-27-13-11-24)17-6-7-19-18(14-17)15-20(28-22(19)26)16-4-2-1-3-5-16/h1-7,14,20H,8-13,15H2,(H,23,25)/p+1/t20-/m1/s1